SCHEMBL12464128

SCHEMBL12464128

C=C(C)C(=C)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.66
ALDH1A1 P00352 6/20 0.65
LMNA P02545 2/20 0.65
KDM4E B2RXH2 1/20 0.65
USP2 O75604 1/20 0.65
PDE4A P27815 1/20 0.61
AGO2 Q9UKV8 1/20 0.61
HSD11B1 P28845 1/20 0.60
GFER P55789 1/20 0.60
ALOX15 P16050 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10031587 0.89 POLB (0.68) POLBALDH1A1LMNAKDM4EUSP2
SCHEMBL10031598 0.82 MEN1 (0.70) POLBALDH1A1LMNAKDM4EUSP2
SCHEMBL21637832 0.81 USP2 (0.71) POLBALDH1A1LMNAKDM4EUSP2
SCHEMBL12010926 0.80 HSD11B1 (0.68) POLBALDH1A1LMNAKDM4EUSP2
SCHEMBL5453637 0.77 PDE4A (0.71) POLBALDH1A1LMNAKDM4EUSP2
SCHEMBL290584 0.77 ALDH1A1 (0.71) POLBALDH1A1LMNAKDM4EUSP2
SCHEMBL10031617 0.77 USP2 (0.69) POLBALDH1A1LMNAKDM4EUSP2
SCHEMBL13651634 0.77 USP2 (0.69) POLBALDH1A1LMNAKDM4EUSP2
Sulfisomidine SCHEMBL34791 0.76 PDE4A (1.00) POLBALDH1A1LMNAKDM4EUSP2
SCHEMBL1828300 0.76 PDE4A (0.74) POLBALDH1A1LMNAKDM4EUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1826001-B1 A heat-sensitive positive-working lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2011-07-06 EP disclosed